In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 2nd, 2011 | 30 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.50 | 8.98 | -60.32 | 2 | 5 | 1 | 54 | 434.429 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 6.65 | -20.77 | 1 | 5 | 0 | 53 | 433.421 | 6 | ↓ |